BAS 00414372
TL;DR: BAS 00414372 (CAS 69438-10-4) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00414372, F0016-0375, 2-[(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(E)-(p-nitrophenyl)methyleneamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarbonitrile, 2-[(E)-[(4-NITROPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 69438-10-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)[N+](=O)[O-])C#N |
| InChIKey | GZTZMWJZAWZZQK-UHFFFAOYSA-N |
Product Overview
BAS 00414372 (CAS 69438-10-4), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 2-[(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00414372
Property Insights of BAS 00414372
The XLogP value of 4.0 indicates that BAS 00414372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414372. Following Lipinski's Rule of Five, BAS 00414372 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00414372?
The CAS number of BAS 00414372 is 69438-10-4.
What is the molecular formula of BAS 00414372?
The molecular formula of BAS 00414372 is C16H13N3O2S.
What is the molecular weight of BAS 00414372?
The molecular weight of BAS 00414372 is 311.07 g/mol.
Where can I buy BAS 00414372?
You can request a quote for BAS 00414372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414372?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.